Selecting atoms by autodetection
GSL offers macros that automatically detect and select common molecular components. These macros simplify selections without needing to specify detailed criteria.
Available macros:
@protein
: Selects all amino acid atoms (supports ~140 different amino acids).@water
: Selects all water atoms.@ion
: Selects all ion atoms.@membrane
: Selects membrane lipid atoms (supports over 200 lipid types).@dna
: Selects all DNA molecule atoms.@rna
: Selects all RNA molecule atoms.
Example usage:
@protein or @membrane
Selects all protein and membrane lipid atoms.
Caution: While these macros are generally reliable, they may not always perfectly identify all relevant atoms. Use them judiciously, especially when working with custom molecules.